Oxalic Acid

Oxalic Acid

SCHEMBL29680236

CN1CCN(CCCNCc2ccc(-c3nc(Cl)nc4[nH]ccc34)cc2)CC1.O=C(O)C(=O)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.46
AKT2 P31751 1/20 0.46
PDK1 Q15118 6/20 0.41
RAD52 P43351 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
AHR P35869 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RCE1 Q9Y256 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29680455 0.94 AKT1 (0.48) AKT1AKT2PDK1RAD52KDM4E
Oxalic Acid SCHEMBL29680719 0.82 PDK1 (0.45) PDK1KDM4EPDK2PDK3PDK4
Oxalic Acid SCHEMBL29680612 0.81 AKT1 (0.46) AKT1AKT2RAD52KMT2AMEN1
Oxalic Acid SCHEMBL29680336 0.80 AKT1 (0.46) AKT1AKT2RAD52KMT2AMEN1
Oxalic Acid SCHEMBL29680370 0.79 AKT1 (0.46) AKT1AKT2RAD52KMT2AMEN1
Oxalic Acid SCHEMBL29680295 0.77 AKT1 (0.46) AKT1AKT2RAD52KMT2AMEN1
SCHEMBL29680804 0.76 TERT (0.41) PDK1LMNA
SCHEMBL29680730 0.76 AKT1 (0.49) AKT1AKT2RAD52BCL2L1
Oxalic Acid SCHEMBL31735151 0.76 AKT1 (0.45) AKT1AKT2RAD52KMT2AMEN1
SCHEMBL24528663 0.74 KDM4E (0.39) PDK1RAD52KDM4EALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263539-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2023-10-25 EP claimed
WO-2022129376-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-06-23 WO claimed
EP-4263539-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2023-10-25 EP disclosed
WO-2022129376-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-06-23 WO disclosed